4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

C11H12N2 — CID 23542596

IUPAC4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCC1=NC2=C(C1)CC1=C2N=C(C)C1
InChIInChI=1S/C11H12N2/c1-6-3-8-5-9-4-7(2)13-11(9)10(8)12-6/h3-5H2,1-2H3
InChIKeyOMHLWOWCRNBMKQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.63
Rot. Bonds

About 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene

4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (PubChem CID 23542596) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.

Molecular Properties

Compound Name4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
PubChem CID23542596
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene
SMILESCC1=NC2=C(C1)CC1=C2N=C(C)C1
InChIInChI=1S/C11H12N2/c1-6-3-8-5-9-4-7(2)13-11(9)10(8)12-6/h3-5H2,1-2H3
InChIKeyOMHLWOWCRNBMKQ-UHFFFAOYSA-N
XLogP2.63
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,6-Trimethyl-3,4-dihydrocyclopenta[b]pyrrole
CID 20647158
4,10-Dimethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 89607099
4,10-Dimethyl-3,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,9-tetraene
CID 89607101
4,10-Diethyl-5,9-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 89607122
2-[4-(4,5-dimethyl-3H-pyrrol-2-yl)-2,3-dimethylcyclopenta-1,3-dien-1-yl]-4,5-dimethyl-3H-pyrrole
CID 90287552

Frequently Asked Questions

What is the IUPAC name of 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The IUPAC name of 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene (CID 23542596) is 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene.
What is the SMILES notation for 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The canonical SMILES for 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is CC1=NC2=C(C1)CC1=C2N=C(C)C1.
What is the InChIKey of 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
The InChIKey is OMHLWOWCRNBMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-6-3-8-5-9-4-7(2)13-11(9)10(8)12-6/h3-5H2,1-2H3.
What are the key properties of 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene?
4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene has a molecular weight of 172.23 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dimethyl-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene is sourced from PubChem (CID 23542596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).